Structure of PDB 8fj9 Chain B Binding Site BS01

Receptor Information
>8fj9 Chain B (length=832) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTTRNLYKKYNQVYDRSAQSFEHVDHYLTAESWYRPKYILKDTWTTEKDF
RPLLMTWWPSQETQRQYVNYMNAQLGINKTYDDTSNQLQLNIAAATIQAK
IEAKITTLKNTDWLRQTISAFVKTQSAWNSDSEKPFDDHLQNGAVLYDNE
GKLTPYANSNYRILNRTPTNQTGKKDPRYTADNTIGGYEFLLANDVDNSN
PVVQAEQLNWLHFLMNFGNIYANDPDANFDSIRVDAVDNVDADLLQIAGD
YLKAAKGIHKNDKAANDHLSILEAWSDNDTPYLHDDGDNMINMDNKLRLS
LLFSLAKPLNQRSGMNPLITNSLVNRTDDNAETAAVPSYSFIRAHDSEVQ
DLIRDIIKAEINPNVVGYSFTMEEIKKAFEIYNKDLLATEKKYTHYNTAL
SYALLLTNKSSVPRVYYGDMFTDDGQYMAHKTINYEAIETLLKARIKYVS
GGQAMRNQQVGNSEIITSVRYGKGALKATDTGDRTTRTSGVAVIEGNNPS
LRLKASDRVVVNMGAAHKNQAYRPLLLTTDNGIKAYHSDQEAAGLVRYTN
DRGELIFTAADIKGYANPQVSGYLGVWVPVGAAADQDVRVAASTAPSTDG
KSVHQNAALDSRVMFEGFSNFQAFATKKEEYTNVVIAKNVDKFAEWGVTD
FEMAPQYVSSTDGSFLDSVIQNGYAFTDRYDLGISKPNKYGTADDLVKAI
KALHSKGIKVMADWVPDQMYAFPEKEVVTATRVDKFGKPVEGSQIKSVLY
VADSKSSGKDQQAKYGGAFLEELQAKYPELFARKQISTGVPMDPSVKIKQ
WSAKYFNGTNILGRGAGYVLKDQATNTYFNIS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8fj9 Chain B Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8fj9 The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E405 D411 N455 D933
Binding residue
(residue number reindexed from 1)		E189 D195 N239 D717
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.5: dextransucrase.
Gene Ontology
Molecular Function
GO:0046527 glucosyltransferase activity
Biological Process
GO:0009250 glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8fj9, PDBe:8fj9, PDBj:8fj9
PDBsum8fj9
PubMed37158310
UniProtP08987|GTFB_STRMU Glucosyltransferase-I (Gene Name=gtfB)

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